Table 4 Selected ligands with their bonding interactions with DHPS enzyme mentioned along with distance in Angstrom (Å).
S.no | Ligands | Hydrogen bonds | Distance (Å) | Pi-Pi alky interactions | Distance (Å) | Van der waal interactions |
|---|---|---|---|---|---|---|
1 | CID_291096 | Arg243 Gly196 Arg263 | 3.13 2.97 2.98 | Lys228 Phe197 Arg71 | 3.46, 5.48 4.54 4.40 | Arg229 Met155 Pro72 Thr70 Ile28 Ser226 His265 Ala240 Arg227 |
2 | MSID_000725 | His265 Thr70 Ser226 | 2.13 3.32 1.95, 1.92 | Arg227 Ile28 Arg71 His265 | 3.91 5.32, 4.19 4.68 4.16, 4.58 | Ser69 MGA279 Lys228 Asn30 Arg263 |
3 | MSID_000733 | Arg263 Ser226 Lys228 | 5.83 2.16, 1.85 2.68 | Arg71 Arg227 His265 Phe197 Lys228 | 5.06 4.11 4.48 4.78 4.98 | Ser69 Ala240 Arg243 Met155 Ile28 Thr70 |
4 | MSID_000738 | Gly196 Ser226 Arg263 | 2.13 2.12 2.82 | Arg71 | 4.70 | Arg229 Arg227 Lys228 His265 Ile28 Asn30 Thr70 Phe197 Pro72 Met155 |
